CID 146082035

3-bromo-6-chloro-7-fluoro-1-benzofuran

Structural Information

Molecular Formula
C8H3BrClFO
SMILES
C1=CC(=C(C2=C1C(=CO2)Br)F)Cl
InChI
InChI=1S/C8H3BrClFO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H
InChIKey
DYJQSZWGQLXVLL-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-7-fluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.90398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.91126 140.7
[M+Na]+ 270.89320 157.8
[M-H]- 246.89670 148.6
[M+NH4]+ 265.93780 165.0
[M+K]+ 286.86714 146.0
[M+H-H2O]+ 230.90124 142.2
[M+HCOO]- 292.90218 159.0
[M+CH3COO]- 306.91783 158.1
[M+Na-2H]- 268.87865 149.5
[M]+ 247.90343 163.7
[M]- 247.90453 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.